Virial coefficients of Lennard-Jones mixtures

作者: Andrew J. Schultz , David A. Kofke

DOI: 10.1063/1.3148379

关键词:

摘要: We report results of calculations the second through sixth virial coefficients for four prototype Lennard-Jones (LJ) mixtures that have been subject previous studies in literature. Values are reported temperatures ranging from T=0.6 to T=10.0, where here temperature is given units LJ energy parameter one components. Thermodynamic stability studied using equation state (VEOS) with calculated coefficients, particular focus on characterizing vapor-liquid critical behavior mixtures. For three mixtures, coexistence and data available comparison at only temperature, while fourth we can compare a line. find VEOS provides useful indication presence location behavior, although some situations need consider “near-miss” classical conditions criticality nearly but not exactly satis...

参考文章(67)
T. H. Spurling, Edward A. Mason, The virial equation of state ,(1969)
Daan Frenkel, Berend Smit, Molecular Dynamics Simulations Understanding Molecular Simulation (Second Edition)#R##N#From Algorithms to Applications. pp. 63- 107 ,(2002) , 10.1016/B978-012267351-1/50006-7
David A. Kofke, Semigrand Canonical Monte Carlo Simulation; Integration Along Coexistence Lines Advances in Chemical Physics. ,vol. 105, pp. 405- 441 ,(1999) , 10.1002/9780470141649.CH13
Edmundo Gomes de Azevedo, J. M. Prausnitz, Ruediger N. Lichtenthaler, Molecular Thermodynamics of Fluid-Phase Equilibria ,(1969)
Jefferson W. Tester, Michael Modell, Thermodynamics and its applications ,(1974)
A. Baram, M.W. Maddox, J.S. Rowlinson, Studies of the Gaussian model Molecular Physics. ,vol. 76, pp. 1093- 1101 ,(1991) , 10.1080/00268979200101901